methyl 2-[4-(4-phenylbut-1-en-3-yn-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(4-phenylbut-1-en-3-yn-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-(1-methylene-3-phenyl-prop-2-ynyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-(4-phenylbut-1-en-3-yn-2-yl)-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-phenylbut-1-en-3-yn-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-(1-methylene-3-phenyl-prop-2-ynyl)piperazino]nicotinic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-17(10-11-18-7-4-3-5-8-18)23-13-15-24(16-14-23)20-19(21(25)26-2)9-6-12-22-20/h3-9,12H,1,13-16H2,2H3